2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-(2,3-dimethylphenyl)piperazino]ethanone Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSC3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSC3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C22H26N2O3S/c1-16-4-3-5-19(17(16)2)23-8-10-24(11-9-23)22(25)15-28-18-6-7-20-21(14-18)27-13-12-26-20/h3-7,14H,8-13,15H2,1-2H3